Details of the Drug

General Information of Drug (ID: DMW76V0)

• Drug Name: Bisantrene
• Synonyms: 39C34M111K; 78186-34-2; 9,10-Anthracendicarbaldehyde bis(2-imidazolin-2-ylhydrazon); 9,10-Anthracenedicarboxaldehyde, bis((4,5-dihydro-1H-imidazol-2-yl)hydrazone)-; BISANTRENE HYDROCHLORIDE; BRN 0966309; Bisantrene; Bisantrene [INN]; Bisantreno; Bisantreno [INN-Spanish]; Bisantrenum; Bisantrenum [INN-Latin]; CHEMBL25336; CL 216942; N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazono)methyl]-9-anthryl]methyleneamino]-4,5-dihydro-1H-imidazol-2-amine; NSC 337766; UNII-39C34M111K
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 398.474
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 6
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C22H22N8
  IUPAC Name: N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
  Canonical SMILES: C1CN=C(N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C=NNC5=NCCN5
  InChI: InChI=1S/C22H22N8/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30)/b27-13+,28-14+
  InChIKey: NJSMWLQOCQIOPE-OCHFTUDZSA-N
• Cross-matching ID:
  PubChem CID: 5351322
  CAS Number: 78186-34-2
  UNII: 39C34M111K
  DrugBank ID: DB17247
  VARIDT ID: DR01305

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[1]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[2]

References

• [1] Pharmacogenomic importance of ABCG2. Pharmacogenomics. 2008 Aug;9(8):1005-9.
• [2] Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64.